adamantan-2-amine

• ChemBase ID: 113924
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: C12C(C3CC(C1)CC(C3)C2)N
• Canonical SMILES: NC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H17N/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H2
• InChIKey: QZWNXXINFABALM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-2-amine
• IUPAC Traditional name: adamantan-2-amine
• Synonyms: Adamantan-2-ylamine hydrochloride

Database IDs

• CAS Number: 10523-68-9
• PubChem SID: 162098970
• PubChem CID: 25332

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4785138
• LogD (pH = 7.4): -1.2317787
• Log P: 1.5503438
• Molar Refractivity: 45.369 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.891

Product Information

• Purity: 95+%
• Salt Data: HCl